2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[3-methyl-4-(3-methyl-5-oxidanyl-phenyl)butan-2-yl]ethanamide

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[3-methyl-4-(3-methyl-5-oxidanyl-phenyl)butan-2-yl]ethanamide Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[3-(3-hydroxy-5-methyl-phenyl)-1,2-dimethyl-propyl]acetamide CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[4-(3-hydroxy-5-methylphenyl)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[4-(3-hydroxy-5-methylphenyl)-3-methylbutan-2-yl]acetamide Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)-N-[3-(3-hydroxy-5-methyl-phenyl)-1,2-dimethyl-propyl]acetamide Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)O)CC(C)C(C)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)O)CC(C)C(C)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C19H24N6O3/c1-10-4-13(7-14(26)5-10)6-11(2)12(3)22-15(27)8-25-9-21-16-17(25)23-19(20)24-18(16)28/h4-5,7,9,11-12,26H,6,8H2,1-3H3,(H,22,27)(H3,20,23,24,28)